N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide

C20H21N5O — CID 56721710

IUPACN-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2c3nc[nH]c3CCN2Cc2ccccn2)cc1
InChIInChI=1S/C20H21N5O/c1-14(26)24-16-7-5-15(6-8-16)20-19-18(22-13-23-19)9-11-25(20)12-17-4-2-3-10-21-17/h2-8,10,13,20H,9,11-12H2,1H3,(H,22,23)(H,24,26)
InChIKeyYFOKSVOHBDMZLD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.91
Rot. Bonds4

About N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide

N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide (PubChem CID 56721710) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
PubChem CID56721710
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2c3nc[nH]c3CCN2Cc2ccccn2)cc1
InChIInChI=1S/C20H21N5O/c1-14(26)24-16-7-5-15(6-8-16)20-19-18(22-13-23-19)9-11-25(20)12-17-4-2-3-10-21-17/h2-8,10,13,20H,9,11-12H2,1H3,(H,22,23)(H,24,26)
InChIKeyYFOKSVOHBDMZLD-UHFFFAOYSA-N
XLogP2.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide (CID 56721710) is N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2c3nc[nH]c3CCN2Cc2ccccn2)cc1.
What is the InChIKey of N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The InChIKey is YFOKSVOHBDMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(26)24-16-7-5-15(6-8-16)20-19-18(22-13-23-19)9-11-25(20)12-17-4-2-3-10-21-17/h2-8,10,13,20H,9,11-12H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 56721710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).